Cas no 28652-77-9 (Naphthalene, trimethyl-)

Naphthalene, trimethyl- structure
Naphthalene, trimethyl- structure
Product Name:Naphthalene, trimethyl-
CAS No:28652-77-9
MF:C13H14
MW:170.250263690948
CID:272270
PubChem ID:28226
Update Time:2025-04-19

Naphthalene, trimethyl- Chemical and Physical Properties

Names and Identifiers

    • Naphthalene, trimethyl-
    • Trimethylnaphthalene
    • 28652-77-9
    • Q27293511
    • EINECS 241-121-0
    • D92510
    • 17057-91-9
    • DTXSID70904162
    • Naphthalene,1,3,8-trimethyl-
    • 2,4,5-Trimethylnaphthalene
    • UNII-X3MOE579W5
    • AKOS022181083
    • 1,3,8-trimethyl-naphthalene
    • XYTKCJHHXQVFCK-UHFFFAOYSA-N
    • NS00054260
    • 1,3,8-TRIMETHYLNAPHTHALENE
    • MFCD01321196
    • Naphthalene, 1,3,8-trimethyl-
    • T1712
    • X3MOE579W5
    • CS-0336882
    • Inchi: 1S/C13H14/c1-9-7-11(3)13-10(2)5-4-6-12(13)8-9/h4-8H,1-3H3
    • InChI Key: XYTKCJHHXQVFCK-UHFFFAOYSA-N
    • SMILES: C12C(C)=CC=CC1=CC(C)=CC=2C

Computed Properties

  • Exact Mass: 170.10962
  • Monoisotopic Mass: 170.109550447g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 173
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.3
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0

Naphthalene, trimethyl- Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Diphenylmethane diisocyanate ,  Gold, compd. with nickel (1:1) Solvents: Water ;  100 h, 330 °C
Reference
Conversion of Ethanol and Fusel Oils over Au-M/MFI/Al2O3 Catalysts
Chistyakova, P. A.; Chistyakov, A. V.; Nikolaev, S. A.; Bagdatov, R. A.; Tsodikov, M. V.; et al, Petroleum Chemistry, 2022, 62(9), 1107-1125

Naphthalene, trimethyl- Preparation Products

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